2-(benzimidazol-1-yl)-N-methyl-1-pyrimidin-5-ylethanamine

C14H15N5 — CID 105118530

IUPAC2-(benzimidazol-1-yl)-N-methyl-1-pyrimidin-5-ylethanamine
SMILESCNC(Cn1cnc2ccccc21)c1cncnc1
InChIInChI=1S/C14H15N5/c1-15-13(11-6-16-9-17-7-11)8-19-10-18-12-4-2-3-5-14(12)19/h2-7,9-10,13,15H,8H2,1H3
InChIKeyPYGWPFJJSGXSET-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.79
Rot. Bonds4

About 2-(benzimidazol-1-yl)-N-methyl-1-pyrimidin-5-ylethanamine

2-(benzimidazol-1-yl)-N-methyl-1-pyrimidin-5-ylethanamine (PubChem CID 105118530) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-methyl-1-pyrimidin-5-ylethanamine.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-methyl-1-pyrimidin-5-ylethanamine
PubChem CID105118530
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name2-(benzimidazol-1-yl)-N-methyl-1-pyrimidin-5-ylethanamine
SMILESCNC(Cn1cnc2ccccc21)c1cncnc1
InChIInChI=1S/C14H15N5/c1-15-13(11-6-16-9-17-7-11)8-19-10-18-12-4-2-3-5-14(12)19/h2-7,9-10,13,15H,8H2,1H3
InChIKeyPYGWPFJJSGXSET-UHFFFAOYSA-N
XLogP1.79
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzimidazol-1-yl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 105146117
2-(benzimidazol-1-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 107130065
N-[2-(benzimidazol-1-yl)-1-pyridin-3-ylethyl]propan-1-amine
CID 105098601
[2-(benzimidazol-1-yl)-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine
CID 105288022
2-(benzimidazol-1-yl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
CID 105143106
1-(benzimidazol-1-yl)-3-ethoxy-N-methylpropan-2-amine
CID 105164987
1-(benzimidazol-1-yl)propan-2-ol
CID 22504258
1-(benzimidazol-1-yl)-3-cyclopentyl-N-methylpropan-2-amine
CID 105138856
1-(benzimidazol-1-yl)butan-2-ol
CID 53276318
[2-(benzimidazol-1-yl)-1-(5-methylthiophen-3-yl)ethyl]hydrazine
CID 105313179
1-(benzimidazol-1-yl)-5-ethylsulfonyl-N-methylpentan-2-amine
CID 105152492
1-(benzimidazol-1-yl)-N-methyl-5-methylsulfonylpentan-2-amine
CID 105112839

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-methyl-1-pyrimidin-5-ylethanamine?
The IUPAC name of 2-(benzimidazol-1-yl)-N-methyl-1-pyrimidin-5-ylethanamine (CID 105118530) is 2-(benzimidazol-1-yl)-N-methyl-1-pyrimidin-5-ylethanamine.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-methyl-1-pyrimidin-5-ylethanamine?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-methyl-1-pyrimidin-5-ylethanamine is CNC(Cn1cnc2ccccc21)c1cncnc1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-methyl-1-pyrimidin-5-ylethanamine?
The InChIKey is PYGWPFJJSGXSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-15-13(11-6-16-9-17-7-11)8-19-10-18-12-4-2-3-5-14(12)19/h2-7,9-10,13,15H,8H2,1H3.
What are the key properties of 2-(benzimidazol-1-yl)-N-methyl-1-pyrimidin-5-ylethanamine?
2-(benzimidazol-1-yl)-N-methyl-1-pyrimidin-5-ylethanamine has a molecular weight of 253.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-methyl-1-pyrimidin-5-ylethanamine is sourced from PubChem (CID 105118530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).